4-(1-hydrazinyl-1-oxopropan-2-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide

C17H16F3N3O3 — CID 4137017

IUPAC4-(1-hydrazinyl-1-oxopropan-2-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCC(Oc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1)C(=O)NN
InChIInChI=1S/C17H16F3N3O3/c1-10(15(24)23-21)26-14-7-5-11(6-8-14)16(25)22-13-4-2-3-12(9-13)17(18,19)20/h2-10H,21H2,1H3,(H,22,25)(H,23,24)
InChIKeyKKRRFKNGJCPDHP-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.71
Rot. Bonds5

About 4-(1-hydrazinyl-1-oxopropan-2-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide

4-(1-hydrazinyl-1-oxopropan-2-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 4137017) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is 4-(1-hydrazinyl-1-oxopropan-2-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(1-hydrazinyl-1-oxopropan-2-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID4137017
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name4-(1-hydrazinyl-1-oxopropan-2-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCC(Oc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1)C(=O)NN
InChIInChI=1S/C17H16F3N3O3/c1-10(15(24)23-21)26-14-7-5-11(6-8-14)16(25)22-13-4-2-3-12(9-13)17(18,19)20/h2-10H,21H2,1H3,(H,22,25)(H,23,24)
InChIKeyKKRRFKNGJCPDHP-UHFFFAOYSA-N
XLogP2.71
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]propanoate
CID 5072001
4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 806811
4-butan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 17197649
(2R)-2-phenoxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 879678
4-[2-(2,6-dimethylphenoxy)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 43887249
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 887218
2-methyl-2-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]propanoic acid
CID 22687485
(2S)-2-(3,4-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 890062
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140
4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639338
N-(4-propan-2-yloxyphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108987361
4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16650952

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydrazinyl-1-oxopropan-2-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-(1-hydrazinyl-1-oxopropan-2-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide (CID 4137017) is 4-(1-hydrazinyl-1-oxopropan-2-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-(1-hydrazinyl-1-oxopropan-2-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-(1-hydrazinyl-1-oxopropan-2-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide is CC(Oc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1)C(=O)NN.
What is the InChIKey of 4-(1-hydrazinyl-1-oxopropan-2-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is KKRRFKNGJCPDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c1-10(15(24)23-21)26-14-7-5-11(6-8-14)16(25)22-13-4-2-3-12(9-13)17(18,19)20/h2-10H,21H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 4-(1-hydrazinyl-1-oxopropan-2-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide?
4-(1-hydrazinyl-1-oxopropan-2-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 367.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydrazinyl-1-oxopropan-2-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 4137017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).